SMILES:
Cc1ncc2n1CCC=C2c1ccc(O)cc1Molecular Processing
Molecular formula
C14H14N2O
Molecular weight
226.28
Exact mass
226.1106
XLogP
2.73
TPSA
38.05
H-bond donors
1
H-bond acceptors
2
Rotatable bonds
1
Heavy atoms
17
Rings
3
Aromatic rings
2
Saturated rings
0
Aliphatic rings
1
Stereo centers
0
Undefined stereo
0
Formal charge
0
Heteroatoms
3
Covalent units
1
Fraction Csp3
0.214
Molar refractivity
66.77
Supplementary Information
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